tert-butyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

C21H28N2O5 — CID 70648231

IUPACtert-butyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)N(c1ccc3c(c1)OCCO3)C2
InChIInChI=1S/C21H28N2O5/c1-20(2,3)28-19(25)22-8-6-21(7-9-22)13-18(24)23(14-21)15-4-5-16-17(12-15)27-11-10-26-16/h4-5,12H,6-11,13-14H2,1-3H3
InChIKeyZOQMTBSNWJJMFA-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.21
Rot. Bonds1

About tert-butyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

tert-butyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 70648231) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is tert-butyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID70648231
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Nametert-butyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)N(c1ccc3c(c1)OCCO3)C2
InChIInChI=1S/C21H28N2O5/c1-20(2,3)28-19(25)22-8-6-21(7-9-22)13-18(24)23(14-21)15-4-5-16-17(12-15)27-11-10-26-16/h4-5,12H,6-11,13-14H2,1-3H3
InChIKeyZOQMTBSNWJJMFA-UHFFFAOYSA-N
XLogP3.21
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate with MolForge

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Related Compounds

N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 131656549
tert-butyl 2-(1,1-dioxo-1-benzothiophen-5-yl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 121483410
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 121229500
tert-butyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(methylcarbamoyl)piperidine-1-carboxylate
CID 158496061
tert-butyl 9-(4-hydroxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 170979647
tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939645
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)azepane-1-carboxylate
CID 58603126
6-iodo-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2,4-dihydrochromene-3,4'-piperidine]-5-carboxylic acid
CID 169103798
tert-butyl (3R)-3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)pyrrolidine-1-carboxylate
CID 71629432
tert-butyl 5-(3-oxomorpholin-4-yl)-1,3-dihydroisoindole-2-carboxylate
CID 177238886
tert-butyl 3-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 59688382

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate (CID 70648231) is tert-butyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)N(c1ccc3c(c1)OCCO3)C2.
What is the InChIKey of tert-butyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is ZOQMTBSNWJJMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5/c1-20(2,3)28-19(25)22-8-6-21(7-9-22)13-18(24)23(14-21)15-4-5-16-17(12-15)27-11-10-26-16/h4-5,12H,6-11,13-14H2,1-3H3.
What are the key properties of tert-butyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
tert-butyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 388.46 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 70648231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).